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  1. Third-Parties
  2. MatprojStructure
  3. mp-1306908

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1306908
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Si
  • Density: 2.9160037603076763
  • Atomic Density: 0.09655334862225573
  • Unit Cell Volume: 579.9902416547767
  • Molar Volume: 6.237112276199071
  • Full Formula: Li16 Si8 Ni4 O28
  • Reduced Formula: Li4Si2NiO7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -381.90332231
  • Final energy per atom: -6.819702184107143
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.